3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine

C19H25N7O — CID 126912998

About 3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine

3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126912998) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

• Compound Name: 3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
• PubChem CID: 126912998
• Molecular Formula: C19H25N7O
• Molecular Weight: 367.46 g/mol
• Exact Mass: 367.21
• IUPAC Name: 3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
• SMILES: c1cnn(-c2ccc3nnc(C4CCN(CC5CCCCO5)CC4)n3n2)c1
• InChI: InChI=1S/C19H25N7O/c1-2-13-27-16(4-1)14-24-11-7-15(8-12-24)19-22-21-17-5-6-18(23-26(17)19)25-10-3-9-20-25/h3,5-6,9-10,15-16H,1-2,4,7-8,11-14H2
• InChIKey: IZCSHDGENIMGLX-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 73.37 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.46
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?

The IUPAC name of 3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 126912998) is 3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.

What is the SMILES notation for 3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?

The canonical SMILES for 3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is c1cnn(-c2ccc3nnc(C4CCN(CC5CCCCO5)CC4)n3n2)c1.

What is the InChIKey of 3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?

The InChIKey is IZCSHDGENIMGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-2-13-27-16(4-1)14-24-11-7-15(8-12-24)19-22-21-17-5-6-18(23-26(17)19)25-10-3-9-20-25/h3,5-6,9-10,15-16H,1-2,4,7-8,11-14H2.

What are the key properties of 3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?

3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 367.46 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126912998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).